3-[(3-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-[(3-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(m-tolylsulfamoyl)benzamide CAS Name: 3-[(3-methylphenyl)sulfamoyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-[(3-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(m-tolylsulfamoyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-17-5-2-7-19(15-17)23-29(26,27)20-8-3-6-18(16-20)21(25)22-9-4-10-24-11-13-28-14-12-24/h2-3,5-8,15-16,23H,4,9-14H2,1H3,(H,22,25)/p+1